105-48-6 (氯乙酸异丙酯,Isopropyl Chloroacetate)

氯乙酸异丙酯(105-48-6)名称与标识符

名称

中文别名:
氯乙酸异丙酯;:氯醋酸异丙酯:;氯醋酸异丙酯;氯乙酸异丙酯,99%;
英文别名:
Iso-propyl chloroacetate;Isopropyl Chloroacetate;Chloroacetic Acid Isopropyl Ester;propan-2-yl 2-chloroacetate;(1-Methylethyl)-2-chloroacetate;ClCH2;ClCH2C(O)OCH(CH3)2;Isopropyl chloroacet;Isopropylchloroacetrate;isopropylchloroethanoate;4-BRORNO-4''-CHLOROCHALCONE;AKOS BBS-00003849;Isopropyl chloroacetate,99%;AI3-39184;Chloroacetic acid, 1-methyl ester;VNJ65NL2TF;Acetic acid, 2-chloro-, 1-methylethyl ester;isopropyl 2-chloroacetate;NSC27789;chloroacetic acid, 1-methylethyl ester;Acetic acid, chloro-, isopropyl ester;F8889-3074;Acetic acid, chloro-, 1-methylethyl ester;UNII-VNJ65NL2TF;InChI=1/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3;VODRWDBLLGYRJT-UHFFFAOYSA-;DTXSID6059316;LS-13055;Q63395455;CCRIS 7748;105-48-6;EINECS 203-301-7;chloro-acetic acid isopropyl ester;Isopropyl chloroacetate [UN2947] [Flammable liquid];SCHEMBL136589;UN 2947;NSC-27789;MFCD00040410;FT-0656095;NS00023378;NSC 27789;UN2947;AKOS000268764;Monochloroacetic acid isopropyl ester;

标识符

MDL:
MFCD00040410
InChIKey:
VODRWDBLLGYRJT-UHFFFAOYSA-N
Inchi:
1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
SMILES:
ClCC(=O)OC(C)C

氯乙酸异丙酯(105-48-6)物化性质

实验特性

  • LogP : 1.17680
  • PSA : 26.30000
  • 折射率 : 1.418-1.42
  • 水溶性 : 微溶
  • 沸点 : 150°C(lit.)
  • 熔点 : -112
  • 闪点 : 56 ºC
  • FEMA : 3437
  • 颜色与性状 : 液体。
  • 溶解性 : 略溶于水。
  • 密度 : 1.096

计算特性

  • 精确分子量 : 136.02900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 3
  • 同位素质量 : 136.029107
  • 重原子数量 : 8
  • 复杂度 : 80.5
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.5
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 26.3

氯乙酸异丙酯(105-48-6)国际标准相关数据

EINECS:
203-301-7

氯乙酸异丙酯(105-48-6)海关数据

海关编码:
2915400090
海关数据:

中国海关编码:

2915400090

概述:

2915400090 其他一氯代乙酸的盐和酯(包括二氯代乙酸或三氯代乙酸的盐和酯). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2915400090 mono-, di- or trichloroacetic acids, their salts and esters

氯乙酸异丙酯(105-48-6)生产方法和用途

用途:
用作镇痛药萘普生和布洛芬等的中间体

氯乙酸异丙酯(105-48-6)推荐厂家 更多厂家(22)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
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湖北扬信医药科技有限公司 18071854684
0714-3999001
程舒畅 2885409691
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上海吉至生化科技有限公司 18117592386
021-57481218
吉至试剂 3007522982
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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南通众合化工新材料有限公司 18762756250
0513-55074056
胡经理 2369399482
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深圳振强生物技术有限公司 13670046396
86-755-66853366
颜经理 2851296953
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湖北常鑫盛化工有限公司 18971238634吴经理 2189484023
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JACS-郑州杰克斯化工产品有限公司 15981966935
0371-86259281
杰克斯JACS 893596907
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南通润丰石油化工有限公司 19952847550
0513-66017696
曹海燕 2143087160 询单
江苏润丰合成科技有限公司 18662931390
0513-66017679
蔡经理 507167383 询单

氯乙酸异丙酯(105-48-6)上下游

氯乙酸异丙酯(105-48-6)相关文献

氯乙酸异丙酯(105-48-6)参考资料

Reaxys RN:
1745035
Beilstein:
2(4)482
PubChem CID:

氯乙酸异丙酯(105-48-6) MSDS

基础信息

Name:Isopropyl Chloroacetate 99% Material Safety Data Sheet
Synonym:(1-Methylethyl)-2-Chloroacetate
CAS:105-48-6
Section 1 - Chemical Product ? MSDS Name:Isopropyl Chloroacetate 99% Material Safety Data Sheet
Synonym:(1-Methylethyl)-2-Chloroacetate

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
105-48-6Isopropyl Chloroacetate99%203-301-7
Hazard Symbols: None Listed.
Risk Phrases: 10

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Flammable.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Vapors may cause dizziness or suffocation.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid if irritation develops or persists. Wash clothing before reuse. Flush skin with plenty of soap and water.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Flammables-area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 105-48-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Liquid
Color: clear, colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: 68 mm Hg @20C
Viscosity: Not available.
Boiling Point: 149 - 150 deg C @ 760.00mm Hg
Freezing/Melting Point: -112 deg C
Autoignition Temperature: Not available.
Flash Point: 56 deg C ( 132.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: slightly soluble in water
Specific Gravity/Density: 1.0850g/cm3
Molecular Formula: C5H9ClO2
Molecular Weight: 136.57

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: May occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 105-48-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Isopropyl Chloroacetate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: ISOPROPYL CHLOROACETATE
Hazard Class: 3
UN Number: 2947
Packing Group: III
IMO
Shipping Name: ISOPROPYL CHLOROACETATE
Hazard Class: 3.3
UN Number: 2947
Packing Group: III
RID/ADR
Shipping Name: ISOPROPYL CHLOROACETATE
Hazard Class: 3
UN Number: 2947
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
R 10 Flammable.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 33 Take precautionary measures against static
discharges.
S 37/39 Wear suitable gloves and eye/face
protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 105-48-6: No information available.
Canada
CAS# 105-48-6 is listed on Canada's NDSL List.
CAS# 105-48-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 105-48-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A